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Structural, morphology and optical properties studies of Ni doped CdSe thin films Ni掺杂CdSe薄膜的结构、形貌及光学性能研究
IF 1 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.15251/cl.2023.205.367
A. J. Jarjees Alsoofy, R. Ali, Z. A. Mosa, N. Habubi, S. Chiad
Thermal evaporation was used to prepare nickel (Ni) doped cadmium selenide thin films in different proportions (0, 1 and 3) wt.% on glass substrates at room temperature. According to XRD examination, all films possessed a polycrystalline hexagonal structure, with the (002) plane as the ideal orientation. According to AFM analysis, the average particle size decreases as the amount of doping increases, showing that the distribution of grains has become more uniform. The transmission and distortion ratios of the films were measured to learn more about their optical properties, which revealed that the (CdSe) films' transmittance decreased as the Ni films were doped, respectively. Additionally, it was discovered that all produced films had absorption coefficients larger than (α >104 𝑐𝑐𝑚𝑚- 1 ) and that the value of this coefficient rises with increasing doping. The films exhibited all direct optical energy gaps, according to the findings (CdSe). As the doping fraction decreased, the gap values decreased from 1.72 eV to 1.62 eV.
采用热蒸发法在室温下在玻璃衬底上制备了不同比例(0,1和3)wt.%掺杂镍(Ni)的硒化镉薄膜。通过XRD检测,所有薄膜均具有多晶六边形结构,以(002)平面为理想取向。AFM分析表明,随着掺杂量的增加,平均粒径减小,表明晶粒分布更加均匀。通过测量薄膜的透射率和畸变率来进一步了解其光学性质,结果表明(CdSe)薄膜的透射率分别随着Ni薄膜的掺杂而降低。此外,我们还发现所有薄膜的吸收系数都大于(α >104𝑐𝑐𝑚𝑚- 1),并且该系数随掺杂量的增加而增大。根据研究结果(CdSe),这些薄膜表现出所有的直接光能隙。随着掺杂分数的减小,间隙值从1.72 eV减小到1.62 eV。
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引用次数: 0
Structural, Swanepoel’s method, optical and electrical parameters of vacuum evaporated Zn50Se50 thin films 真空蒸发Zn50Se50薄膜的结构、斯瓦内普尔法、光学和电学参数
IF 1 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.15251/cl.2023.201.19
A. Alwany, G. Youssef, M. Algradee, M. Abdel-Rahim, A. Alnakhlani, B. Hassan
Thin films of Zn50Se50 were prepared by the vacuum evaporation technique on glass substrates. The influence of annealing temperature (Tann.) on the structural and optical properties of ZnSe polycrystalline films was investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM) and optical transmittance T (λ). The crystalline phases that were found in the Zn50Se50 thin films are ZnSe, Se and Zn. The refractive index (n) and the thickness of the films (d) were calculated using Swanepoel’s method for the films annealed at (423 K). The mechanism of optical absorption follows the rule of direct transition. The values of band gap (EG) were found to decrease from about 2.933 to 2.635 eV with the increasin of the Tann. from 300 to 423 K. Urbach energy (EU) was calculated and found to the increase by increasing Tann. The dispersion of the n was discussed in terms of the single-oscillator Wemple and DiDomenico model. The Arrhenius formula was used to discuss the electrical conductivity (σDC), activation energy (ΔE) and preexponential factor (σo).
采用真空蒸发技术在玻璃基板上制备了Zn50Se50薄膜。采用x射线衍射仪(XRD)、扫描电镜(SEM)和透射率T (λ)研究了退火温度(Tann.)对ZnSe多晶薄膜结构和光学性能的影响。在Zn50Se50薄膜中发现的晶相为ZnSe、Se和Zn。利用斯瓦内普尔法计算了在(423 K)退火的薄膜的折射率(n)和薄膜厚度(d),其光吸收机制遵循直接跃迁规律。随着Tann的增加,带隙(EG)从2.933 eV减小到2.635 eV。从300到423 K。计算了乌尔巴赫能(EU),发现随着鞣制含量的增加,乌尔巴赫能(EU)增加。用单振Wemple和DiDomenico模型讨论了n的色散。采用Arrhenius公式讨论了电导率(σDC)、活化能(ΔE)和指前因子(σo)。
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引用次数: 0
Structural, electronic and thermoelectric properties of LiAlX2 (X=S and Se) chalcopyrites: promising for thermoelectric power generators LiAlX2(X=S和Se)硫黄铁矿的结构、电子和热电性能:有望用于热电发电机
IF 1 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.15251/cl.2023.201.73
J. Kumari, C. Singh, R. Agrawal, B. L. Choudhary, A. Verma
Herein, we have inquired the structural, electronic and thermoelectric properties of the couple of chalcopyrite structured solids LiAlX2 (X=S and Se) with the help of density functional theory (DFT), which is tracked by resolution of the Boltzmann transport equation with the constant relaxation time calculations. The LDA (Localized Density Approximation), PBE (Perdew-Burke-Ernzerhof), PBEsol (PBE functional revised for solids) and WC (Wu-Cohen) exchange correlation potentials have been used. The calculated lattice constants a = 5.271 Å; c = 10.178 Å and a = 6.226 Å; c = 12.165 Å for LiAlS2 and LiAlSe2 respectively and the band gap of the mentioned compounds are found in range from 1.74 eV to 3.13 eV. The dependency of thermoelectric parameters are calculated with different temperature (300-800K) and carrier concentration 1018 1019 cm-3 . From the study of ZT (figure of merit’s ZT= S2 σT/κ the dimensionless parameter) and it is found that it’s value for both the compounds in n-type as well as in p-type region is ‘unity’. Since these compounds can be the promising candidate for thermoelectric devices also these compounds are non-toxic, eco-friendly and good alternative for the green and renewable source of electric power generators.
在此,我们借助密度泛函理论(DFT)研究了黄铜矿结构固体LiAlX2(X=S和Se)对的结构、电子和热电性质,该理论通过求解Boltzmann输运方程和常数弛豫时间计算来跟踪。使用了LDA(局部化密度近似)、PBE(Perdew-Burke-Ernzerhof)、PBEsol(固体PBE函数修正)和WC(Wu-Cohen)交换相关势。计算的晶格常数a=5.271Å;c=10.178Å和a=6.226Å;对于LiAlS2和LiAlSe2,c分别为12.165Å,并且发现上述化合物的带隙在1.74 eV到3.13 eV之间。计算了不同温度(300-800K)和载流子浓度1018 1019 cm-3下热电参数的依赖性。通过对ZT(品质因数ZT=S2σT/κ无量纲参数)的研究,发现n型和p型区域的化合物的ZT值都是“统一的”。由于这些化合物可能是热电装置的有前途的候选者,这些化合物也是无毒、环保的,是绿色和可再生能源发电机的良好替代品。
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引用次数: 0
Composition-dependent properties and network structure of Ge-Se-Te chalcogenide glasses Ge-Se-Te硫系玻璃的组分依赖性质和网络结构
IF 1 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.15251/cl.2023.201.1
L. Yang, G. Zhou, C. G. Lin
Ge12.5Se87.5-xTex (0≤x≤45) glasses were selected for elucidating the composition-dependent properties and network structure of Te-containing glasses. With increasing Te content (x), Vickers hardness (Hv) and glass transition temperature (Tg) initially increased and then decreased, showing a compositional threshold at x=27.5. It is found that the compositional trend of Hv and Tg is in good accordance with the structural evolution studied by Raman spectra. The results suggest that the introduction of Te leads to the evolution of the network connectivity and average bond strength of Ge12.5Se87.5-xTex glass structure, which imposes an opposite impact on the structural properties (Hv and Tg). This work provides a new insight to the structure-property correlation of Ge-Se-Te, which would facilitate the understanding of the structural role of Te in ChGs.
选择Ge12.5Se87.5-xTex(0≤x≤45)玻璃来阐明含te玻璃的组分依赖性质和网络结构。随着Te含量(x)的增加,维氏硬度(Hv)和玻璃化转变温度(Tg)先升高后降低,在x=27.5处出现组分阈值。发现Hv和Tg的组成趋势与拉曼光谱研究的结构演变相吻合。结果表明,Te的引入导致了Ge12.5Se87.5-xTex玻璃结构的网络连度和平均结合强度的演变,而对结构性能(Hv和Tg)产生了相反的影响。本研究为Ge-Se-Te的结构-性质相关性提供了新的认识,有助于理解Te在ChGs中的结构作用。
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引用次数: 0
Theoretical investigation of fundamental physical properties of full-Heusler Co2VZ (Z= Al, Bi, Ga, Ge) compounds 全heusler Co2VZ (Z= Al, Bi, Ga, Ge)化合物基本物理性质的理论研究
IF 1 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.15251/cl.2023.207.535
S. Mahla, R. Agrawal, S. Kumar, P. Singh, M. Lal, S. Singh, A. Verma
A subclass of ternary intermetallic known as Heusler compounds is being employed in the steel industry to increase material strength. This study examines the structural, electrical, optical, and magnetic properties of Co2VZ (Z=Al, Bi, Ge, Si) compounds using two different methods. First is full potential linearized augmented plane wave (FP-LAPW) method by WIEN2k and second is pseudo potential method by Atomic Tool Kit-Virtual Nano-Lab. The equivalent energy gaps in the minority-spin of Co2VZ (Z= Al, Bi, Ga, Ge) with WIEN2k code, which displays 100% spin polarization, are 0.703, 0.384, 0.186, and 0.67 eV near to the Fermi level. Furthermore, it is discovered that these compounds are absolutely half-metallic ferromagnetic (HMF). With the exception of Co2VBi, which exhibits metallic properties, the aforementioned compounds exhibit 0.525, 0.0, 0.553, and 0.786 eV band gaps in the ATK-VNL code and indicate 100% spin polarization. The magnetic moments of the compounds Co2VZ (Z= Al, Bi, Ga, Ge) are found to be 2.976, 4.003, 1.989, and 3.001 µB, respectively, in the WIEN2k code. The relative magnetic moments of the aforementioned compounds are also 1.991, 3.947, 1.999, and 2.997 µB, according to the ATK-VNL code.
三金属间化合物的一个子类,被称为Heusler化合物,被用于钢铁工业,以增加材料的强度。本研究使用两种不同的方法检测了Co2VZ (Z=Al, Bi, Ge, Si)化合物的结构,电学,光学和磁性。一是利用WIEN2k实现全电位线性化增广平面波(FP-LAPW)方法,二是利用Atomic Tool Kit-Virtual Nano-Lab实现伪电位方法。WIEN2k编码的Co2VZ (Z= Al, Bi, Ga, Ge)显示100%自旋极化,在费米能级附近的少数自旋等效能隙分别为0.703,0.384,0.186和0.67 eV。此外,还发现这些化合物是绝对半金属铁磁性的(HMF)。除了Co2VBi表现出金属性质外,上述化合物在ATK-VNL编码中表现出0.525、0.0、0.553和0.786 eV的带隙,并表现出100%的自旋极化。在WIEN2k代码中,化合物Co2VZ (Z= Al, Bi, Ga, Ge)的磁矩分别为2.976,4.003,1.989和3.001µB。根据ATK-VNL代码,上述化合物的相对磁矩也分别为1.991、3.947、1.999和2.997µB。
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引用次数: 0
Photo-induced effects in Ge-Ga-Se films Ge-Ga-Se薄膜的光致效应
IF 1 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.15251/cl.2023.207.507
Z. Zhang, Y. Sun, Z. Yang, T. Wei, J. Wu, X. S. Wang, R. Wang
We investigated photo-induced effects in Ge-Ga-Se films. It was found that, thermal annealing causes the increase of the bandgap in the as-prepared films, and all three annealed films show photodarkening (PD) behavior with light illumination but the change of optical bandgap is minimum in Ge25 film. Such PD behavior can be recovered by reannealing of the film. The kinetic process of Tf/Ti exhibits part recovering of PD during the cycle of laser on and off. Moreover, no obvious structural change can be observed in the Raman spectra of the films at different states, especially in that of Ge25 film.
我们研究了锗镓硒薄膜的光致效应。结果表明,热退火使薄膜的带隙增大,三种退火后的薄膜在光照下都表现出光变暗(PD)行为,但Ge25薄膜的带隙变化最小。这种PD行为可以通过薄膜的再退火来恢复。在激光开启和关闭的循环过程中,Tf/Ti的动力学过程表现出PD的部分恢复。在不同状态下,薄膜的拉曼光谱没有明显的结构变化,尤其是Ge25薄膜的拉曼光谱。
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引用次数: 0
Phase-change transіtіon of chalcogenіde system Ge8Sb2-xBіxTe11 thіn fіlm usіng sіngle femtosecond laser pulses 采用单飞秒激光脉冲的硫原<e:1>体系(ge8sb2 - xb<s:1> xte11)的相变转换<e:1>
IF 1 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-12-21 DOI: 10.15251/cl.2022.1912.909
V. Karabyn, J. Mіstrіk, Y. Tveryanovіch, P. Bezdіcka, D. Hіmіcs, B. Frumarova, P. Knotek, T. Wagner
The phase transformatіon amorphous to crystallіne of thіn fіlms Ge8Sb2-xBіxTe11 system (where x = 0; 1; 2) deposіted by the Flash Thermal Evaporatіon (FE). Phase transformatіon were іnduced by ultra-fast (40 fs) femtosecond sіngle laser pulse іrradіatіon, and were compared іn structure, optіcal propertіes and topography. The obtaіned results demonstrate, that sіngle fs pulse laser іrradіatіon appears to be effectіve іn іnducіng crystallіzatіon of Ge8Sb2-xBіxTe11 thіn fіlms and enablіng the attaіnment of a hіgher speed data set/reset. The substіtutіon of bіsmuth for antіmony leads to a change іn optіcal, electrіcal and thermal propertіes dependіng on the Bі concentratіon for the studіed materіals. The hіgh optіcal contrast makes the studіed Ge8Sb2-xBіxTe11 samples promіsіng for PRAM memorіes.
xb xte11体系的相变非晶转晶 (x = 0;1;2)闪蒸法(FE)沉积。采用超快(40 fs)飞秒单角激光脉冲 rrad at 诱导相变,并对其结构、光学特性和形貌进行了比较。获得的结果表明,单个脉冲激光 rrad at 似乎可以有效地 晶体),并能够获得一个更高速度的数据集/重置。铋对锑的转移会导致、电和热性能的变化,这取决于所涂覆材料的铋浓度。高强度的光对比使得研究过的ge8sb2 - xb xxte11样品能够为PRAM存储器进行存储
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引用次数: 0
Synthesis, structure and properties of PbO–PbF2–B2O3–SiO2 glasses pbo - pb_2 - b2o3 - sio2玻璃的合成、结构与性能
IF 1 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-12-21 DOI: 10.15251/cl.2022.1912.891
Y. Hordieiev, A. Zaichuk
The structure, thermal and some physical properties of lead fluoroborate glasses containing 30 mol% SiO2 have been investigated by differential thermal analysis, X-ray diffraction and Fourier-transform infrared spectroscopy. The glasses were prepared by the conventional melt-quenching method. Fourier-transform infrared spectroscopy results showed that the network of these glasses consists mainly of BO3, BO4, SiO4, and PbO4 structural units. The thermal stability of the glass samples determined by differential thermal analysis was found to be about 80°C. Dilatometric measurements showed that the glass transition temperature and dilatometric softening temperature decrease with increasing lead content, whereas the coefficient of thermal expansion increases. The density and molar volume increased with the increase in lead content. The conductivity of the investigated glasses mainly depends on the mobility of F– and Pb2+ ions. The variation in volume resistance upon changing the composition has been correlated with the structural changes in the glass network. The results obtained in this study indicate that the investigated glasses can be potential candidates for advanced technologies as solder and sealing materials.
用差热分析、X射线衍射和傅立叶变换红外光谱研究了含30 mol%SiO2的氟硼酸铅玻璃的结构、热性能和一些物理性能。采用传统的熔融淬火方法制备了玻璃。傅立叶变换红外光谱结果表明,这些玻璃的网络主要由BO3、BO4、SiO4和PbO4结构单元组成。通过差热分析确定的玻璃样品的热稳定性约为80°C。膨胀测量表明,随着铅含量的增加,玻璃化转变温度和膨胀软化温度降低,而热膨胀系数增加。密度和摩尔体积随着铅含量的增加而增加。所研究的玻璃的导电性主要取决于F-和Pb2+离子的迁移率。改变组成时体积电阻的变化与玻璃网络的结构变化有关。本研究的结果表明,所研究的玻璃可以作为先进技术的焊料和密封材料。
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引用次数: 1
Multicomponent Ge-As-Te-Pb chalcogenide glasses for radiations shielding applications 辐射屏蔽应用的多组分Ge-As-Te-Pb硫族化物玻璃
IF 1 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-12-21 DOI: 10.15251/cl.2022.1912.939
M. Ezzeldien, M. A. Salamab, M. Hasaneen, A. A. El-Maaref, M. M. Soraya, N. Shaalan, Z. Alrowaili, M. Ahmad
Phy-X/PSD online program is used to obtain various radiation shielding indices in a photon energy region located between 0.15 and 15 MeV for Ge25-As10-Te65-x-Pbx (x = 2, 4, 6, 8, 10 at %) chalcogenide glasses. The linear attenuation coefficient LAC, mass attenuation coefficients MAC, effective atomic number Zeff, effective electron density Neff, half-value layer, HVL, tenth value layer TVL, mean free path MEF, energy absorption and exposure buildup factors (EABF, EBF), and fast neutron cross section FNRCS have been introduced. The findings conclude that the LAC and MAC measurements are greater and therefore better than commercial and traditional glasses. Also, it was found that HVL, TVL, and MFP were reduced with the addition of Pb to the tested glasses, which improve the shielding characteristics. Zeff and Neff of the compositions under study were varied as (42.58- 59.75) and (2.36-3.09 x 1023 electrons/g) respectively. A reduction was noticed in EBF and EABF values with the increment of Pb concentration in the investigated glasses at the entire photon energies, at all values of MFP that emphasize the enhancement of shielding properties of these glasses with the addition of lead. FNRCS were found to be changed between 0.87 and 0.095 Cm-1 as Pb content varies from 0.0 to 0.01 respectively that let these glasses
Phy-X/PSD在线程序用于获得Ge25-As10-Te65-X-Pbx(X=2,4,6,8,10at%)硫族化物玻璃在0.15和15MeV之间的光子能量区域中的各种辐射屏蔽指数。介绍了线性衰减系数LAC、质量衰减系数MAC、有效原子序数Zeff、有效电子密度Neff、半值层、HVL、十值层TVL、平均自由程MEF、能量吸收和暴露累积因子(EABF、EBF)以及快中子截面FNRCS。研究结果表明,LAC和MAC测量值比商用和传统眼镜更大,因此更好。此外,还发现,随着Pb的加入,HVL、TVL和MFP降低,从而改善了屏蔽特性。所研究的组合物的Zeff和Neff分别为(42.58-59.75)和(2.36-3.09x1023电子/g)。在所有MFP值下,随着所研究玻璃中Pb浓度的增加,EBF和EABF值在整个光子能量下都有所降低,这些MFP值强调了添加铅增强这些玻璃的屏蔽性能。当Pb含量分别从0.0到0.01变化时,FNRCS在0.87到0.095 Cm-1之间变化,这使得这些玻璃
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引用次数: 0
Synthesis and electrocatalytic performance for hydrogen evolution reaction of ReSe2 nanosheets ReSe2纳米片的合成及其对析氢反应的电催化性能
IF 1 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-12-21 DOI: 10.15251/cl.2022.1912.965
X. Y. Zhang, J. Liu, Y. He, Z. Liu, A. Wei
Two-dimensional ReSe2 as catalyst for hydrogen evolution reaction (HER) has attracted attention due to its unique 1T′ structure and anisotropic physical properties in base planes. In this work, ReSe2 nanosheets were directly prepared on a carbon cloth (CC) substrate by hydrothermal synthesis technology. The reaction solution was prepared using ammonium perrhenium (NH4ReO4), sodium borohydride (NaBH4), selenium (Se) powder and deionized water. The effects of reactant concentrations and reaction time on the catalytic properties of the ReSe2 /CC for HER were researched. When the concentration of NH4ReO4, Se and NaBH4 is 0.05 M, 0.065 M and 0.200 M, ReSe2/CC shows the optimal HER catalytic properties with overpotential of 197 mV at current density of 10mAcm-2 , Tafel slope of 142 mVdec-1 and ECSA of 325cm2 . The formation mechanism and working mechanism in the HER process of ReSe2/CC are discussed.
二维ReSe2作为析氢反应(HER)催化剂,由于其独特的1T′结构和在基面上的各向异性物理性质而备受关注。本工作采用水热合成技术在碳布(CC)基底上直接制备了ReSe2纳米片。使用高铼铵(NH4ReO4)、硼氢化钠(NaBH4)、硒(Se)粉末和去离子水制备反应溶液。研究了反应物浓度和反应时间对ReSe2/CC催化HER性能的影响。当NH4ReO4、Se和NaBH4的浓度分别为0.05M、0.065M和0.200M时,ReSe2/CC表现出最佳的HER催化性能,在10mAcm-2的电流密度下过电位为197mV,Tafel斜率为142mVdec-1,ECSA为325cm2。讨论了ReSe2/CC HER过程的形成机理和工作机理。
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引用次数: 0
期刊
Chalcogenide Letters
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